2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one

C114H112N18O12S4 — CID 161417630

About 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one

2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 161417630) has the molecular formula C114H112N18O12S4 and a molecular weight of 2054.53 g/mol. Its IUPAC name is 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 161417630
• Molecular Formula: C114H112N18O12S4
• Molecular Weight: 2054.53 g/mol
• Exact Mass: 2052.76
• IUPAC Name: 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
• SMILES: COc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cnco1)C2.Cc1ccc(CN(CC(=O)Cc2sc(C)c(C)c2C(N)=O)C(=O)c2ccccc2)cc1.Cc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cccs1)C2.Cc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cncs1)C2.Cc1sc(CC(=O)CN(Cc2ccco2)C(=O)c2ccccc2)c(C(N)=O)c1C
• InChI: InChI=1S/C25H26N2O3S.C23H22N4OS.C22H21N5O3.C22H21N5OS.C22H22N2O4S/c1-16-9-11-19(12-10-16)14-27(25(30)20-7-5-4-6-8-20)15-21(28)13-22-23(24(26)29)17(2)18(3)31-22;1-14-5-7-16-11-18(23(28)25-19(16)10-14)21-22(24-12-17-4-3-9-29-17)27-13-15(2)6-8-20(27)26-21;1-13-3-6-19-26-20(21(27(19)11-13)24-10-16-9-23-12-30-16)17-7-14-4-5-15(29-2)8-18(14)25-22(17)28;1-13-3-5-15-8-17(22(28)25-18(15)7-13)20-21(24-10-16-9-23-12-29-16)27-11-14(2)4-6-19(27)26-20;1-14-15(2)29-19(20(14)21(23)26)11-17(25)12-24(13-18-9-6-10-28-18)22(27)16-7-4-3-5-8-16/h4-12H,13-15H2,1-3H3,(H2,26,29);3-10,13,18,24H,11-12H2,1-2H3,(H,25,28);3-6,8-9,11-12,17,24H,7,10H2,1-2H3,(H,25,28);3-7,9,11-12,17,24H,8,10H2,1-2H3,(H,25,28);3-10H,11-13H2,1-2H3,(H2,23,26)
• InChIKey: VWHJBHBQVWBSIF-UHFFFAOYSA-N
• XLogP: 20.47
• TPSA: 397.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2054.53
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one (CID 161417630) is 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one is COc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cnco1)C2.Cc1ccc(CN(CC(=O)Cc2sc(C)c(C)c2C(N)=O)C(=O)c2ccccc2)cc1.Cc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cccs1)C2.Cc1ccc2c(c1)NC(=O)C(c1nc3ccc(C)cn3c1NCc1cncs1)C2.Cc1sc(CC(=O)CN(Cc2ccco2)C(=O)c2ccccc2)c(C(N)=O)c1C.

What is the InChIKey of 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is VWHJBHBQVWBSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S.C23H22N4OS.C22H21N5O3.C22H21N5OS.C22H22N2O4S/c1-16-9-11-19(12-10-16)14-27(25(30)20-7-5-4-6-8-20)15-21(28)13-22-23(24(26)29)17(2)18(3)31-22;1-14-5-7-16-11-18(23(28)25-19(16)10-14)21-22(24-12-17-4-3-9-29-17)27-13-15(2)6-8-20(27)26-21;1-13-3-6-19-26-20(21(27(19)11-13)24-10-16-9-23-12-30-16)17-7-14-4-5-15(29-2)8-18(14)25-22(17)28;1-13-3-5-15-8-17(22(28)25-18(15)7-13)20-21(24-10-16-9-23-12-29-16)27-11-14(2)4-6-19(27)26-20;1-14-15(2)29-19(20(14)21(23)26)11-17(25)12-24(13-18-9-6-10-28-18)22(27)16-7-4-3-5-8-16/h4-12H,13-15H2,1-3H3,(H2,26,29);3-10,13,18,24H,11-12H2,1-2H3,(H,25,28);3-6,8-9,11-12,17,24H,7,10H2,1-2H3,(H,25,28);3-7,9,11-12,17,24H,8,10H2,1-2H3,(H,25,28);3-10H,11-13H2,1-2H3,(H2,23,26).

What are the key properties of 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one?

2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 2054.53 g/mol, XLogP of 20.47, 29 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[benzoyl(furan-2-ylmethyl)amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;2-[3-[benzoyl-[(4-methylphenyl)methyl]amino]-2-oxopropyl]-4,5-dimethylthiophene-3-carboxamide;7-methoxy-3-[6-methyl-3-(1,3-oxazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(thiophen-2-ylmethylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 161417630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).